2-(5-chloro-2-methoxyphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride

C18H19Cl2FN2O2 — CID 120883571

IUPAC2-(5-chloro-2-methoxyphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride
SMILESCOc1ccc(Cl)cc1CC(=O)Nc1ccc2c(c1F)CCNC2.Cl
InChIInChI=1S/C18H18ClFN2O2.ClH/c1-24-16-5-3-13(19)8-12(16)9-17(23)22-15-4-2-11-10-21-7-6-14(11)18(15)20;/h2-5,8,21H,6-7,9-10H2,1H3,(H,22,23);1H
InChIKeyUXNWJXKPWJAAOL-UHFFFAOYSA-N
MW385.27 g/mol
LogP3.74
Rot. Bonds4

About 2-(5-chloro-2-methoxyphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride

2-(5-chloro-2-methoxyphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride (PubChem CID 120883571) has the molecular formula C18H19Cl2FN2O2 and a molecular weight of 385.27 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride
PubChem CID120883571
Molecular FormulaC18H19Cl2FN2O2
Molecular Weight385.27 g/mol
Exact Mass384.08
IUPAC Name2-(5-chloro-2-methoxyphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride
SMILESCOc1ccc(Cl)cc1CC(=O)Nc1ccc2c(c1F)CCNC2.Cl
InChIInChI=1S/C18H18ClFN2O2.ClH/c1-24-16-5-3-13(19)8-12(16)9-17(23)22-15-4-2-11-10-21-7-6-14(11)18(15)20;/h2-5,8,21H,6-7,9-10H2,1H3,(H,22,23);1H
InChIKeyUXNWJXKPWJAAOL-UHFFFAOYSA-N
XLogP3.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(5-chloro-2-methoxyphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride with MolForge

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Related Compounds

3-(2,5-dimethoxyphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride
CID 120882745
3-(3,4-dimethoxyphenyl)sulfanyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride
CID 120881001
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methylsulfonylacetamide;hydrochloride
CID 120884179
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 120881649
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(methylsulfamoyl)acetamide;hydrochloride
CID 120881417
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methoxy-5-methylthiophene-2-carboxamide;hydrochloride
CID 120881581
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride
CID 120883759
2-(4-chloro-2-nitrophenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride
CID 120882507
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 120883597
2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide;hydrochloride
CID 68711980
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(3-methoxyphenyl)butanamide;hydrochloride
CID 120882209
2-(2-ethoxyethoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride
CID 120883699

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride (CID 120883571) is 2-(5-chloro-2-methoxyphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride is COc1ccc(Cl)cc1CC(=O)Nc1ccc2c(c1F)CCNC2.Cl.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride?
The InChIKey is UXNWJXKPWJAAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2.ClH/c1-24-16-5-3-13(19)8-12(16)9-17(23)22-15-4-2-11-10-21-7-6-14(11)18(15)20;/h2-5,8,21H,6-7,9-10H2,1H3,(H,22,23);1H.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride?
2-(5-chloro-2-methoxyphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride has a molecular weight of 385.27 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride is sourced from PubChem (CID 120883571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).